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ASINEX-ZINC00243612

 MMsINC code: MMs00097892
Type: Neutral
Formula: C11H8F4N2O
SMILES:   FC(F)(C(F)F)c1nn(-c2ccccc2)c(O)c1
InChI:   InChI=1/C11H8F4N2O/c12-10(13)11(14,15)8-6-9(18)17(16-8)7-4-2-1-3-5-7/h1-6,10,18H

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Potential Energy
Epot(MMFF94)=93.7204 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.19 g/mol  logS: -2.84603  SlogP: 3.6662  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0422664  Sterimol/B1: 2.75469  Sterimol/B2: 2.75809  Sterimol/B3: 3.33415
  Sterimol/B4: 5.48052  Sterimol/L: 12.9635 
 
 Surface and Volume Properties
  Accessible surface: 429.76  Positive charged surface: 161.666  Negative charged surface: 268.094  Volume: 203.5
  Hydrophobic surface: 250.834  Hydrophilic surface: 178.926
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.